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Re: Rendering structures from SMILES [message #267 is a reply to message #264]

Mon, 01 May 2017 07:25

jwfeng
Messages: 4
Registered: March 2017

Junior Member

Hi Thomas,

Thanks for the different options. I will convert my SD file into a tab separated file where the first column stores SMILES string of the SD structure. The remaining columns will store SD fields.

I like to store SMILES strings in SD tag where those SMILES could be substructures, near neighbors, or molecular match pairs.

JW

JW Feng

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[Message index]

		Rendering structures from SMILES By: jwfeng on Wed, 05 April 2017 19:28
		Re: Rendering structures from SMILES By: thomas on Wed, 05 April 2017 21:13
		Re: Rendering structures from SMILES By: jwfeng on Mon, 01 May 2017 07:25

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